[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol

C16H16F3NO — CID 105103565

IUPAC[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C16H16F3NO/c1-9-6-11(3)13(7-10(9)2)15(21)14-5-4-12(8-20-14)16(17,18)19/h4-8,15,21H,1-3H3
InChIKeyFCIIDWNWWPFINW-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.11
Rot. Bonds2

About [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol

[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol (PubChem CID 105103565) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
PubChem CID105103565
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccc(C(F)(F)F)cn2)cc1C
InChIInChI=1S/C16H16F3NO/c1-9-6-11(3)13(7-10(9)2)15(21)14-5-4-12(8-20-14)16(17,18)19/h4-8,15,21H,1-3H3
InChIKeyFCIIDWNWWPFINW-UHFFFAOYSA-N
XLogP4.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
(6-methoxypyridazin-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 103373443
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169
ethyl 2,3-dihydroxy-3-[5-(trifluoromethyl)-2-pyridinyl]propanoate
CID 171866505
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
2-(3-chlorobutan-2-yl)-5-(trifluoromethyl)pyridine
CID 63202926
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol (CID 105103565) is [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2ccc(C(F)(F)F)cn2)cc1C.
What is the InChIKey of [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol?
The InChIKey is FCIIDWNWWPFINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-9-6-11(3)13(7-10(9)2)15(21)14-5-4-12(8-20-14)16(17,18)19/h4-8,15,21H,1-3H3.
What are the key properties of [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol?
[5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol has a molecular weight of 295.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-pyridinyl]-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 105103565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).